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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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All sourcesNASA NTRSDOE OSTI
NASA NTRS2011

Statistical Analysis of an Infrared Thermography Inspection of Reinforced Carbon-Carbon

Each piece of flight hardware being used on the shuttle must be analyzed and pass NASA requirements before the shuttle is ready for launch. One tool used to detect cracks that lie within flight hardware is Infrared Flash Thermography. This is a non-destructive testing technique which uses an intense flash of light to heat up the surface of a material after which an Infrared camera is used to record the cooling of the material. Since cracks within the material obstruct the natural heat flow through the material, they are visible when viewing the data from the Infrared camera. We used Ecotherm, a software program, to collect data pertaining to the delaminations and analyzed the data using Ecotherm and University of Dayton Log Logistic Probability of Detection (POD) Software. The goal was to reproduce the statistical analysis produced by the University of Dayton software, by using scatter plots, log transforms, and residuals to test the assumption of normality for the residuals.

Comeaux, Kayla↗
NASA NTRS2005

Techniques and Tools of NASA's Space Shuttle Columbia Accident Investigation

The Space Shuttle Columbia accident investigation was a fusion of many disciplines into a single effort. From the recovery and reconstruction of the debris, Figure 1, to the analysis, both destructive and nondestructive, of chemical and metallurgical samples, Figure 2, a multitude of analytical techniques and tools were employed. Destructive and non-destructive testing were utilized in tandem to determine if a breach in the left wing of the Orbiter had occurred, and if so, the path of the resultant high temperature plasma flow. Nondestructive analysis included topometric scanning, laser mapping, and real-time radiography. These techniques were useful in constructing a three dimensional virtual representation of the reconstruction project, specifically the left wing leading edge reinforced carbon/carbon heat protectant panels. Similarly, they were beneficial in determining where sampling should be performed on the debris. Analytic testing included such techniques as Energy Dispersive Electron Microprobe Analysis (EMPA), Electron Spectroscopy Chemical Analysis (ESCA), and X-Ray dot mapping; these techniques related the characteristics of intermetallics deposited on the leading edge of the left wing adjacent to the location of a suspected plasma breach during reentry. The methods and results of the various analyses, along with their implications into the accident, are discussed, along with the findings and recommendations of the Columbia Accident Investigation Board. Likewise, NASA's Return To Flight efforts are highlighted.

McDanels, Steve J.↗
NASA NTRS2011

Small Scale Turbopump Manufacturing Technology and Material Processes

As part of an internal research and development project, NASA Marshall Space Flight Center (MSFC) has been developing a high specific impulse 9,000-lbf LOX/LH2 pump-fed engine testbed with the capability to throttle 10:1. A Fuel Turbopump (FTP) with the ability to operate across a speed range of 30,000-rpm to 100,000-rpm was developed and analyzed. This small size and flight-like Fuel Turbopump has completed the design and analysis phase and is currently in the manufacturing phase. This paper highlights the manufacturing and processes efforts to fabricate an approximately 20-lb turbopump with small flow passages, intricately bladed components and approximately 3-in diameter impellers. As a result of the small scale and tight tolerances of the hardware on this turbopump, several unique manufacturing and material challenges were encountered. Some of the technologies highlighted in this paper include the use of powder metallurgy technology to manufacture small impellers, electron beam welding of a turbine blisk shroud, and casting challenges. The use of risk reduction efforts such as non-destructive testing (NDT) and evaluation (NDE), fractography, material testing, and component spin testing are also discussed in this paper.

Alvarez, Erika↗
NASA NTRS2012

Development of Inspection for Friction Stir Welds for Rocket Fuel Tanks

During development of the Ares I weld processes nondestructive and destructive testing were used to identify and characterize defects that occurred. These defects were named and character noted. This catalogue of defects and characteristics was then used to develop inspection methods for Self Reacting Friction Stir Welds (SR ]FSW) and Conventional Friction Stir Welds (C ]FSW). Dye penetrant, eddy current, x ]radiography, single element ultrasonic, and phased array ultrasonic (PAUT) inspection procedures were developed to target the expected defects. Once the method procedure was developed a comparison was performed to allow for selection of the best inspection method. Tests of the effectiveness of the inspection were performed on purposely fabricated flawed specimens and electrodischarge machined notches. The initial test results prompted a revisit of the PAUT procedure and a redesign of the inspection. Subsequent testing showed that a multi ]angle PAUT inspection resulted in better detection capability. A discussion of the most effective orientations of the PAUT transducer will be presented. Also, the implementation of the inspection on production hardware will be presented. In some cases the weld tool is used as the transducer manipulator and in some cases a portable scanner is used

Russell, Samuel S.↗
NASA NTRS2013

Leak Mitigation in Mechanically Pumped Fluid Loops for Long Duration Space Missions

Mechanically pumped fluid loops (MPFLs) are increasingly considered for spacecraft thermal control. A concern for long duration space missions is the leak of fluid leading to performance degradation or potential loop failure. An understanding of leak rate through analysis, as well as destructive and non-destructive testing, provides a verifiable means to quantify leak rates. The system can be appropriately designed to maintain safe operating pressures and temperatures throughout the mission. Two MPFLs on the Mars Science Laboratory Spacecraft, launched November 26, 2011, maintain the temperature of sensitive electronics and science instruments within a -40 deg C to 50 deg C range during launch, cruise, and Mars surface operations. With over 100 meters of complex tubing, fittings, joints, flex lines, and pumps, the system must maintain a minimum pressure through all phases of the mission to provide appropriate performance. This paper describes the process of design, qualification, test, verification, and validation of the components and assemblies employed to minimize risks associated with excessive fluid leaks from pumped fluid loop systems.

thermal controls↗
NASA NTRS2017

Tutorial for Collecting and Processing Images of Composite Structures to Determine the Fiber Volume Fraction

Fiber-reinforced composite structures have become more common in aerospace components due to their light weight and structural efficiency. In general, the strength and stiffness of a composite structure are directly related to the fiber volume fraction, which is defined as the fraction of fiber volume to total volume of the composite. The most common method to measure the fiber volume fraction is acid digestion, which is a useful method when the total weight of the composite, the fiber weight, and the total weight can easily be obtained. However, acid digestion is a destructive test, so the material will no longer be available for additional characterization. Acid digestion can also be difficult to machine out specific components of a composite structure with complex geometries. These disadvantages of acid digestion led the author to develop a method to calculate the fiber volume fraction. The developed method uses optical microscopy to calculate the fiber area fraction based on images of the cross section of the composite. The fiber area fraction and fiber volume fraction are understood to be the same, based on the assumption that the shape and size of the fibers are consistent in the depth of the composite. This tutorial explains the developed method for optically determining fiber area fraction performed at NASA Langley Research Center.

Conklin, Lindsey↗
NASA NTRS2019

Computational Non-Destructive Evaluation Improving Ultrasonic Interrogation of Complex Geometry Composite Parts

Finite element simulation was employed in modeling the ultrasound (UT) pressure pulse propagation through a coupled liquid-composite medium to reproduce experimental data. From the simulation point of view, the proposed approach is challenging when there is a large simulation domain. For example, it is shown that a sub-micron wavelength of an ultrasonic wave requires a mesh size of several microns and this in turn requires significant computational resources, as well as special care in modeling. Some of the simulation results are presented considering that such modeling should reproduce experimental data for a healthy and faulty composite structure with complex geometry. Many possible experimental setups are simulated to demonstrate the non-destructive testing technique. This setup includes the generation of pressure pulse propagating through the tested composite plate and possible scattering by discontinuities (area of different impedance) that may be present in the panel. This scattered pulse together with the baseline pressure pulse generates a signature on the probe element which can be used to locate the position of defects in the structures.

modeling↗
NASA NTRS2020

AERoBOND Project Summary

Under NASA’s Convergent Aeronautics Solutions (CAS) project, the Adhesive-Free Bonding of Complex Composites (AERoBOND) project investigated off-stoichiometric epoxy polymers for fast, reliable assembly of epoxy matrix composite structures. The project goal was to demonstrate feasibility of the AERoBOND joining method by demonstrating mechanical properties greater than 80% of conventional co-cured materials while reducing structure weight by 1%. The project consisted of three convergent research areas: material and process development, systems analysis, and material and process modeling. Material and process development was the largest component of AERoBOND with approximately 6 FTE and 1WYE of support to formulate and characterize new resins, prepare carbon fiber prepregs, fabricate laminates, measure mechanical properties, analyze failure results, and select material and process improvements. The systems analysis activity estimated the potential reduction in part count and aircraft weight by comparing models of composite wing boxes with no fasteners (co-cured structure), fasteners in major joints (co-cured stringers), and fasteners in all joints. The materials and process modeling activity included a molecular model of the AERoBOND materials system to predict mechanical properties of resins with offset stoichiometry and a process model to predict the effect of resin formulation and processing conditions on the extent of mixing and degree of cure in a finished joint. As the number of airline passenger trips doubles in the next 20 years (IATA/Tourism Economics Air Passenger Forecasts, April 2019), the increased demand for new commercial aircraft is now the single greatest technical challenge to the airframe manufacturing industry. To meet efficiency requirements, new aircraft must be fabricated primarily from high performance structural composites, but manufacturing processes are inherently slow with the largest bottleneck attributed to assembly and installation of fasteners (NASA/TM–2019-220428). Manufactures of commercial transport aircraft are compelled to install more than 100,000 redundant fasteners into bonded joints to prevent failures due to unpredictable weak bonds. In structural adhesive bonds, the interface between adherend and adhesive is nearly two-dimensional making it susceptible to minute quantities of contamination, which can cause weak bonds. Currently, bond strength assessment is only possible through destructive testing (i.e., breaking the joint). For these reasons, regulatory organizations such as the Federal Aviation Administration (FAA) often require redundant load paths in secondary-bonded, primary-structures to alleviate concerns with bond performance. The AERoBOND process enables reflow of matrix resin during assembly to eliminate the material discontinuity at the interface, thereby eliminating the dependence of mechanical performance on interfacial adhesion. The AERoBOND joint is equivalent to the interlaminar region obtained during a co-cure process, so joint performance depends on the cohesive properties of the matrix resin. Conventional co-cured structures, although too costly and complex for large-scale manufacturing, are trusted by manufacturers and regulators, and are certified for flight with few or no redundant fasteners.Systems analysis performed on a composite wing model at the scale of a single-aisle commercial transport aircraft indicated that >20,000 redundant fasteners per wing could be eliminated by implementing the AERoBOND joining method. A total weight reduction of 15% was predicted in a wing box by eliminating fasteners and thinning components that must no longer support localized fastener loads and accommodate fastener dimensions. Interlaminar shear fracture toughness measured by the end-notched flexure test was greater than 1 kJ/m2 (nearly 140% of the co-cured benchmark property), which is greatly in excess of the project goals for mechanical properties. Testing was planned to measure interlaminar tensile fracture toughness as well as interlaminar tensile and shear strengths using the same AERoBOND configuration, but was delayed due to closure of LaRC facilities during the COVID-19 pandemic. The AERoBOND process model is partially validated and available for experimental use. It allows the user to input AERoBOND process parameters such as material composition, laminate configuration, and cure cycle to predict the final cure state of the AERoBOND joint. A preliminary, multi-scale material model was developed to predict AERoBOND joint mechanical properties (stiffness and strength) based on the cure state of the joint provided by the process model. The timing for transition of this technology within NASA is excellent as NASA initiates new enduring projects to address composites manufacturing rate challenges. AERoBOND technology is well suited to AAVP/AATT objectives for rapid manufacturing of a composite wing. A minimal effort (1 FTE/$15k procurement/0 WYE) is proposed in FY21 to continue a minor mechanical testing effort and maintain a SAA with ASX composites to develop commercial quality prepreg material. An RFI with the composites industry is suggested to quantify the technology gap between the current TRL and the TRL needed for transition to industry. A moderate effort [3-4 FTE/$150k/1 WYE (~$115k)] is proposed in FY22 for the “high rate composites manufacturing” project currently in planning. The partnership with ASX Composites will be expanded to produce material for sub-element/element-scale “panel-off” activities. Industry partnerships with airframe manufacturers is an expected component to explore damage tolerance and environmental stability. Further development of multi-scale modeling tools (process model, meso-scale model, and molecular model) is planned to enhance and deliver tools for rapid manufacturing infusion.

Frank Louis Palmieri↗
NASA NTRS2021

Microwave Photoelasticity: Exploiting Multiple Resonances to Measure Stress Changes within Yttria-Partially-Stabilized-Zirconia

The NASA Glenn Research Center is developing non-destructive-testing (NDT) methods to enable the measurement of stresses embedded in optically opaque materials using microwave radiation in a free-space quasi-optical system. This methodology tracks microwave resonances observed in reflected scattering parameters extracted from materials under load. In this paper, we report the successful measurement of the stress-optic-coefficient of bulk yttria-partially stabilized zirconia (YTZP) ceramic of C = 1.42 x 10-4 ± 6.65 x 10-6 (1/GPa), across W-Band (80-100 GHz), and determined that this result is independent of sample thickness. The primary goal of this research is to establish a methodology to quantify and assess the life expectancy of ceramic thermal and environmental barrier coating (TBCs/EBCs). Bulk YTZP samples can undergo multiple resonances within a contiguous measurement bandwidth, each corresponding to an integer multiple wave number ∝. This allows for the acquisition and analysis of multiple stress measurement points within a single sample. As an additional benefit, one can approximate the refractive index of YTZP across a wide bandwidth by observing multiple resonances produced by a set of samples with varying thicknesses. Using this approach, the refractive index of bulk YTZP was found to be n = 5.80 ± 0.043 across the 85-115 GHz frequency band.

Seth W. Waldstein↗
NASA NTRSDate not supplied

Measurement System Analysis of a Novel Phase-Based Ultrasonic NDE Technique for Bond Strength Measurement

Fiber reinforced polymer parts have shown tremendous benefits in aerospace structural applications, but their qualification and certification for use in safety critical areas are currently hindered by the lack of a capable non-destructive evaluation (NDE) method or technique for the inspection of these adhesively bonded parts. Conventional NDE methods and techniques typically detect gross bond defects in a qualitative (Pass/Fail) manner. These techniques struggle to detect weak or kissing bonds. Also, there are no widely adopted NDE methods or techniques for measuring interfacial bond strength or detecting kissing bonds. Bond strength is currently ensured by process control and semi-destructive testing. Results from recent research from other authors, including but not limited to mechanical testing, have shown an excellent correlation between interfacial stiffness of an adhesively bonded joint and the adhesive bond strength of that joint. In this paper, a measurement system analysis (MSA) of a novel phase-based ultrasonic NDE Technique, developed at NASA Langley Research Center, is presented for bond strength measurement to assess at an increased level the measurement process and identify components of variation in that measurement process.

Ultrasound↗
NASA NTRS2025

Evaluating the Viability of Compact and Portable X-Ray Systems for an Exploration Medical System in a Ground Demonstration

MOTIVATION FOR INCLUDING X-RAY CAPABILITIES For upcoming exploration missions, the need for enhanced medical care becomes critical due to extended mission durations, significant communication delays, and minimal evacuation opportunities. Previous evidence by our team has revealed that among the 119 medical conditions targeted for management during spaceflight within NASA Exploration Medical Capability’s IMPACT Condition List, at least 36 could benefit from radiography (XR). Utilizing XR for diagnosis and management is hypothesized to significantly improve management of crew health by enabling the immediate evaluation and confirmation of potential injuries or illnesses. Beyond clinical applications, XR also holds potential for non-destructive testing (NDT). This includes applications such as assessing the structural integrity of the spacecraft, analyzing surface and meteorite samples, and inspecting onboard electronics. THREE CANDIDATE X-RAY SYSTEMS CHOSEN FOR GROUND DEMONSTRATION The Exploration Medical Capability Element (ExMC) and the Exploration Medical Integrated Product Team (XMIPT) of the Mars Campaign Office initiated early background work for ground demonstrations. In FY21, ExMC published a Concept of Operations to guide requirements development. By FY23, XMIPT and yet2, a technology scouting and open innovation consulting firm, had completed a market survey and trade study to identify potential miniature XR systems. Selection criteria included commercial-off-the-shelf availability, low mass and volume, and regulatory compliance. The top three candidate devices—Remedi REMEX-KA6, MinXray Impact, and FujiFilm Xair—were acquired to characterize the requirements and capabilities of each device. To facilitate testing, phantoms, and radiographic personal protective equipment (PPE) were purchased, and a dedicated space was designated for XRS usage at Glenn Research Center. During this presentation, the mass, volume, and power requirements for each of the three piloted devices are revealed, as well as information regarding the detector, mA, and kV of the devices. GOAL AND OBJECTIVES OF A MINI XRS GROUND DEMONSTRATION The primary goal of ExMC/XMIPT technology demonstrations is to bridge the gap in available, flight-ready medical device technology by flight-testing diagnostic and treatment technologies essential for managing medical conditions during exploration missions. These technologies must adhere to vehicle constraints such as mass, volume, power, and data requirements, integrate seamlessly with medical decision-support tools, and support increasingly Earth-independent operations. There are three main objectives for the future ground demonstration of these three devices. First, we aim to determine the full capabilities of these three miniature XR systems within the context of the spaceflight environment. While medical applications are the primary focus for the miniature XR, a comprehensive exploration of non-medical uses has been initiated by an XMIPT-sponsored NASA SPARK campaign to identify collaborators. Second, we plan to establish criteria and to use insights gained from evaluating each miniature XR against those criteria to select the most suitable system among the three candidates. Third, we intend to evaluate their suitability for flight certification, which includes assessing its durability for launch, reentry, and exposure to high background radiation, as well as its compatibility with existing data architecture systems. Numerous subject matter experts from NASA and partner institutions will support these objectives.

C A Haddix↗
DOE OSTI2021

System and method for inspecting parts using dynamic response function

A system and method for the non-destructive testing of additively manufactured parts. An input mechanism excites with an excitation force (e.g., a vibration) an additive manufacturing build structure, which includes a part on a build platform, to induce a dynamic response in the part. An output mechanism (e.g., a non-contact transducer) senses the induced dynamic response in the part. A processor determines and examines the relationship between the response and excitation to identify an indication of a defect in the part, and communicates an alert if the indication is identified. The processor may compare the phase, magnitude, coherence, or time delay of the relationship to a reference relationship and/or may compare the modal frequency or the modal damping to a reference to identify a deviation greater than a pre-established threshold.

Hartwig, Troy Juan↗
DOE OSTI2020

Integrating Predictions for Improving Defect Classification Accuracy in NDT-based Assessment of Concrete - 20229

There is an increasing need to create predictive models for defect classification in concrete using the output of non-destructive testing (NDT) techniques. Recent advancement of machine-learning algorithms has offered several techniques for developing classification models for different types of data sets. However, the performance of these algorithms is very uncertain, mainly when applied to small and noisy datasets. For example, when human access is limited (e.g., nuclear facility), robot-based NDT is preferred. But compared to manual tests with humans present on site, the data sets are small, and more noise can exist. Therefore, it is imperative to develop new approaches to ensure a consistently high classification accuracy for inadequate data sets. This study explores the classification performance on NDT dataset using classifiers from different machine-learning algorithms, namely k-Nearest Neighbor (kNN), Decision Tree, Naive Bayes, Logistic Regression, and Support Vector Machine (SVM). The authors further integrated the predictions from these classifiers using proposed methods. The integration strategy combines the output of the classifiers based on two different measures, accuracy, and performance (ACC and PERF), using equations such as sum, average, and square-root-of-sums-of-squares (SRSS). Our results reveal varying classification accuracies across individual classifiers with different misclassifications across the test data set. The integration strategy provided significant improvement in the classification accuracy compared to the individual classifiers. Furthermore, the results indicate minimal variation across the integration methods as compared to the variation across the individual classifiers. To conclude, prediction integration offers a unique approach for combining the output of multiple classifiers to create redundancies with the potential of achieving high classification performance and improved reliability in predictive models for defect detection in concrete. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2020

Progress on Advancing the Robotic Air-slot Volumetric Inspection System (RAVIS) for Hanford Under-tank Inspection - 20519

The 27 in-service double-shell tank (DST) systems at Hanford provide interim storage for nearly 56 million gallons of nuclear and hazardous chemical legacy waste. The safe and reliable storage of the waste is critical to the site's extended cleanup mission. While in service, the leak integrity of the DSTs must be demonstrated to satisfy the Washington Administrative Code, inform decisions on tank management, and gauge fitness for continued service beyond originally intended design lives. The carbon steel plates and welds that comprise DST primary tank sidewalls and lower knuckles are routinely 'sampled' for volumetric non-destructive testing using ultrasonic inspection technology to determine whether corrosion pitting, cracking, or general corrosion are occurring that could compromise tank leak integrity. However, the carbon steel plates and welds that comprise the bottoms of primary tanks have not been thoroughly inspected since the DSTs were constructed (i.e., since 1968-1986) due to limited physical access to the exterior tank bottoms. The Robotic Air-slot Volumetric Inspection System, or 'RAVIS,' is being engineered to overcome the challenge of tank bottom in-service inspection. The system will be deployed under primary tanks within the small cooling channels/air-slots in the refractory pads upon which the tanks rest and will use ultrasonic guided wave inspection technology to volumetrically inspect physically inaccessible regions that make up ∼90% of a tank bottom, as well as regions that are physically accessible from the air-slots but comprise only ∼10% of a tank bottom. This paper describes the air-slot sensor and robotic deployment system and focuses on the testing approach and methods that are being applied to support (1) design feedback and performance acceptance (requirement verification) and (2) performance repeatability/reliability assessments (qualification) to ensure the RAVIS is prepared for successful inservice inspections of primary tank bottoms. Test progress made against the test plan, the results of 2019 testing, and the future outlook are included. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2024

Detection and imaging of electric fields, using polarized neutrons

A method and corresponding apparatus are provided for measuring neutron spin precession in an electric field with high sensitivity suitable for practical applications in non-destructive testing, imaging, and the like. Production of a neutron beam with a polarization vector P is followed by transmitting the spin-polarized neutron beam through a sample region in which there is a target generating an electric field, polarization-analyzing the transmitted neutron beam with an analyzing direction orthogonal to P, detecting an intensity of the polarization-analyzed neutron beam; and mapping the detected neutron-beam intensity to a field-strength value for the target electric field.

Jau, Yuan-Yu↗
NASA NTRS2007

Wire Crimp Termination Verification Using Ultrasonic Inspection

The development of a new ultrasonic measurement technique to quantitatively assess wire crimp terminations is discussed. The amplitude change of a compressional ultrasonic wave propagating through the junction of a crimp termination and wire is shown to correlate with the results of a destructive pull test, which is a standard for assessing crimp wire junction quality. Various crimp junction pathologies such as undercrimping, missing wire strands, incomplete wire insertion, partial insulation removal, and incorrect wire gauge are ultrasonically tested, and their results are correlated with pull tests. Results show that the nondestructive ultrasonic measurement technique consistently (as evidenced with destructive testing) predicts good crimps when ultrasonic transmission is above a certain threshold amplitude level. A physics-based model, solved by finite element analysis, describes the compressional ultrasonic wave propagation through the junction during the crimping process. This model is in agreement within 6% of the ultrasonic measurements. A prototype instrument for applying this technique while wire crimps are installed is also presented. The instrument is based on a two-jaw type crimp tool suitable for butt-splice type connections. Finally, an approach for application to multipin indenter type crimps will be discussed.

Perey, Daniel F.↗
NASA NTRS2010

Characterization of Orbital Debris Photometric Properties Derived from Laboratory-Based Measurements

Capitalizing on optical data products and applying them to generate a more complete understanding of orbital space objects, is a key objective of NASA's Optical Measurement Program, and a primary objective for the creation of the Optical Measurements Center(OMC). The OMC attempts to emulate space-based illumination conditions using equipment and techniques that parallel telescopic observations and source-target-sensor orientations. The data acquired in the OMC are a function of known shape, size, and material. These three physical parameters are key to understanding the orbital debris environment in more depth. For optical observations, one must rely on spectroscopic or photometric measurements to ascertain an object's material type. Determination of an object s shape using remote observations is more complicated due to the various light scattering properties each object present and is a subject that requires more study. It is much easier to look at the periodicity of the light curve and analyze its structure for rotation. In order to best simulate the orbital debris population, three main sources were used as test fragments for optical measurements: flight-ready materials, destructive hypervelocity testing (simulating on-orbit collisions) and destructive pressure testing (simulating on-orbit explosions). Laboratory optical characteristics of fragments were measured, including light curve shape, phase angle dependence, and photometric and spectroscopic color indices. These characteristics were then compared with similar optical measurements acquired from telescopic observations in order to correlate remote and laboratory properties with the intent of ascertaining the intrinsic properties of the observed orbital debris

Cowardin, Heather↗
DOE OSTI2021

Evaluating causal‐based feature selection for fuel property prediction models

Abstract In‐silico screening of novel biofuel molecules based on chemical and fuel properties is a critical first step in the biofuel evaluation process due to the significant volumes of samples required for experimental testing, the destructive nature of engine tests, and the costs associated with bench‐scale synthesis of novel fuels. Predictive models are limited by training sets of few existing measurements, often containing similar classes of molecules that represent just a subset of the potential molecular fuel space. Software tools can be used to generate every possible molecular descriptor for use as input features, but most of these features are largely irrelevant and training models on datasets with higher dimensionality than size tends to yield poor predictive performance. Feature selection has been shown to improve machine learning models, but correlation‐based feature selection fails to provide scientific insight into the underlying mechanisms that determine structure–property relationships. The implementation of causal discovery in feature selection could potentially inform the biofuel design process while also improving model prediction accuracy and robustness to new data. In this study, we investigate the benefits causal‐based feature selection might have on both model performance and identification of key molecular substructures. We found that causal‐based feature selection performed on par with alternative filtration methods, and that a structural causal model provides valuable scientific insights into the relationships between molecular substructures and fuel properties.

Nguyen, Bernard↗